ethyl (2R)-2-[3-(3-nitropyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[3-(3-nitropyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-(3-nitropyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(3-nitropyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[3-(3-nitropyrazol-1-yl)propanoylamino]propionic acid ethyl ester Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CCN1C=CC(=N1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C=CC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-2-20-11(17)8(7-21)12-10(16)4-6-14-5-3-9(13-14)15(18)19/h3,5,8,21H,2,4,6-7H2,1H3,(H,12,16)/t8-/m0/s1